MMsINC Database Search


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MMsINC code: MMs03927512

Type: Neutral
Formula: C₁₀H₁₈N₂O₃

SMILES:

OC(=O)C1N(CCC1)C(=O)C(N)C(C)C

InChI:

InChI=1/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3432 kcal/mol

Physical Properties
Molecular Weight: 214.265 g/mol	logS: -0.62745	SlogP: 0.0453	Reactive groups: 0

Topological Properties
Globularity: 0.155558	Sterimol/B1: 2.50433	Sterimol/B2: 3.17351	Sterimol/B3: 4.58446
Sterimol/B4: 5.49757	Sterimol/L: 11.2424

Surface and Volume Properties
Accessible surface: 408.895	Positive charged surface: 286.379	Negative charged surface: 122.516	Volume: 209.875
Hydrophobic surface: 228.194	Hydrophilic surface: 180.701

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.